Molecule

ID:92555

General Information
Structure
Molecular Formula
C₆H₅N₃S
Molecular Mass
151.189
Exact Mass
151.02041818
Charge
0
InChI
InChI=1S/C6H5N3S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,7H2
InChIKey
ZRVKSPNBHZCQKY-UHFFFAOYSA-N
Canonic Smiles
Nc1csc2c1nccn2
Isomeric Smiles
s1c2c(nccn2)c(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.33831203
LogD (pH = 7.4)
0.33831218
Log P
0.33831218
Molar Refractivity
39.3653
Polarizability
15.182192
Polar Surface Area
51.8
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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